2-amino-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide

C6H8F3N3O2S2 — CID 63946588

IUPAC2-amino-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H8F3N3O2S2/c1-3-4(15-5(10)12-3)16(13,14)11-2-6(7,8)9/h11H,2H2,1H3,(H2,10,12)
InChIKeyCUDGSCGJCIHVJD-UHFFFAOYSA-N
MW275.28 g/mol
LogP0.87
Rot. Bonds3

About 2-amino-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide

2-amino-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 63946588) has the molecular formula C6H8F3N3O2S2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
PubChem CID63946588
Molecular FormulaC6H8F3N3O2S2
Molecular Weight275.28 g/mol
Exact Mass275.00
IUPAC Name2-amino-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H8F3N3O2S2/c1-3-4(15-5(10)12-3)16(13,14)11-2-6(7,8)9/h11H,2H2,1H3,(H2,10,12)
InChIKeyCUDGSCGJCIHVJD-UHFFFAOYSA-N
XLogP0.87
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (CID 63946588) is 2-amino-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-amino-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is CUDGSCGJCIHVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O2S2/c1-3-4(15-5(10)12-3)16(13,14)11-2-6(7,8)9/h11H,2H2,1H3,(H2,10,12).
What are the key properties of 2-amino-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
2-amino-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 275.28 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63946588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).